General Information of the Compound
Compound ID
CP0448584
Compound Name
2-methylene-6-(2-methylpropoxy)-4,9-dihydro-3H-carbazol-1-one
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Structure
Formula
C17H19NO2
Molecular Weight
269.344
Canonical SMILES
CC(C)COc1ccc2[nH]c3c(CCC(=C)C3=O)c2c1
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InChI
InChI=1S/C17H19NO2/c1-10(2)9-20-12-5-7-15-14(8-12)13-6-4-11(3)17(19)16(13)18-15/h5,7-8,10,18H,3-4,6,9H2,1-2H3
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InChIKey
ZWJPRXUXVGPEJZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8878
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
42.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 874744
ChEMBL ID
CHEMBL1490308
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 29092.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 7307.8 nM
   TI
   LI
   LO
   TS
Protein ID: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 6140 nM
   TI
   LI
   LO
   TS